1-phenyl-3-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea
Formula:C18H16N4O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-phenyl-3-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-phenyl-3-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea |
| MolecularFormula | C18H16N4O3S2 |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\NC(Nc2ccccc2)=S)o1)(=O)=O |
| InChI | InChI=1S/C18H16N4O3S2/c19-27(23,24)16-9-6-13(7-10-16)17-11-8-15(25-17)12-20-22-18(26)21-14-4-2-1-3-5-14/h1-12H,(H2,19,23,24)(H2,21,22,26) |
| InChIK | RJFHQANEPMMOCU-UHFFFAOYSA-N |
| TotalMolweight | 400.482 |
| Molweight | 400.482 |
| MonoisotopicMass | 400.066381 |
| CLogP | 3.2951 |
| CLogS | -5.68 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 299.96 |
| Relative PSA | 0.40135 |
| PolarSurfaceArea | 150.19 |
| Druglikeness | 4.7424 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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